SCHEMBL3663085

SCHEMBL3663085

O=C1CSc2ccc(N3C(=O)OC[C@@H]3CCCNCc3c(F)ccc4ncccc34)cc2N1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.30
QPCT Q16769 3/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL592289 0.84 GRM2 (0.34) KCNH2TRPV1POLB
SCHEMBL592386 0.84 GRM2 (0.34) KCNH2TRPV1POLB
SCHEMBL3658469 0.84 GRM2 (0.34) KCNH2TRPV1POLB
SCHEMBL589977 0.78 KCNH2 (0.33) KCNH2
SCHEMBL589978 0.78 KCNH2 (0.33) KCNH2
SCHEMBL589979 0.78 KCNH2 (0.33) KCNH2
SCHEMBL2172185 0.77 HPGD (0.32) KCNH2TRPV1
SCHEMBL12096170 0.75 HTT (0.39) TRPV1POLB
SCHEMBL591984 0.73 GRM2 (0.36) POLB
SCHEMBL590379 0.73 GRM2 (0.36) POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225242-A2 DERIVATIVES OF N-HETEROCYCLIC-IMIDAZOÝ1,2-A¨PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-09-08 EP disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2009106749-A2 DERIVATIVES OF N-HETEROCYCLIC-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-03 WO disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed